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BDBM50517437 CHEMBL4514413

SMILES: O=S(=O)(Nc1ccc(CCc2ccccc2)c2cccnc12)c1ccccn1

InChI Key: InChIKey=FKJOVPHMZFRURO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50517437   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Glyoxalase I


(Homo sapiens (Human))		BDBM50517437
PNG
(CHEMBL4514413)
Show SMILES O=S(=O)(Nc1ccc(CCc2ccccc2)c2cccnc12)c1ccccn1
Show InChI InChI=1S/C22H19N3O2S/c26-28(27,21-10-4-5-15-23-21)25-20-14-13-18(19-9-6-16-24-22(19)20)12-11-17-7-2-1-3-8-17/h1-10,13-16,25H,11-12H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) expressed in Escherichia coli using MG as substrate preincubated for 15 ...

J Med Chem 62: 1609-1625 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01868
More data for this
Ligand-Target Pair